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	hartrees
Energy at 0K	-117.877046
Energy at 298.15K
HF Energy	-117.877046
Nuclear repulsion energy	75.895419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁'	3180	3025	0.00	244.81	0.04	0.07
2	A₁'	1545	1470	0.00	4.92	0.74	0.85
3	A₁'	1247	1187	0.00	28.85	0.09	0.17
4	A₁"	1163	1107	0.00	0.00	0.75	0.86
5	A₂'	1092	1039	0.00	0.00	0.75	0.86
6	A₂"	3273	3114	29.52	0.00	0.75	0.86
7	A₂"	865	823	0.80	0.00	0.75	0.86
8	E'	3171	3017	24.32	19.96	0.75	0.86
8	E'	3171	3017	24.32	19.96	0.75	0.86
9	E'	1487	1415	0.96	8.96	0.75	0.86
9	E'	1487	1415	0.96	8.96	0.75	0.86
10	E'	1072	1020	9.44	0.03	0.75	0.86
10	E'	1072	1020	9.44	0.03	0.75	0.86
11	E'	921	876	19.64	14.29	0.75	0.86
11	E'	921	876	19.64	14.29	0.75	0.86
12	E"	3253	3096	0.00	94.05	0.75	0.86
12	E"	3253	3096	0.00	94.05	0.75	0.86
13	E"	1222	1163	0.00	10.58	0.75	0.86
13	E"	1222	1163	0.00	10.58	0.75	0.86
14	E"	745	709	0.00	2.51	0.75	0.86
14	E"	745	709	0.00	2.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.867	0.000
C2	0.751	-0.433	0.000
C3	-0.751	-0.433	0.000
H4	0.000	1.456	0.910
H5	1.261	-0.728	0.910
H6	-1.261	-0.728	0.910
H7	0.000	1.456	-0.910
H8	1.261	-0.728	-0.910
H9	-1.261	-0.728	-0.910

	C1	C2	C3	H4	H5	H6	H7	H8	H9
C1		1.5012	1.5012	1.0843	2.2277	2.2277	1.0843	2.2277	2.2277
C2	1.5012		1.5012	2.2277	1.0843	2.2277	2.2277	1.0843	2.2277
C3	1.5012	1.5012		2.2277	2.2277	1.0843	2.2277	2.2277	1.0843
H4	1.0843	2.2277	2.2277		2.5226	2.5226	1.8198	3.1105	3.1105
H5	2.2277	1.0843	2.2277	2.5226		2.5226	3.1105	1.8198	3.1105
H6	2.2277	2.2277	1.0843	2.5226	2.5226		3.1105	3.1105	1.8198
H7	1.0843	2.2277	2.2277	1.8198	3.1105	3.1105		2.5226	2.5226
H8	2.2277	1.0843	2.2277	3.1105	1.8198	3.1105	2.5226		2.5226
H9	2.2277	2.2277	1.0843	3.1105	3.1105	1.8198	2.5226	2.5226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	H5	118.100
C1	C2	H8	118.100	C1	C3	C2	60.000
C1	C3	H6	118.100	C1	C3	H9	118.100
C2	C1	C3	60.000	C2	C1	H4	118.100
C2	C1	H7	118.100	C2	C3	H6	118.100
C2	C3	H9	118.100	C3	C1	H4	118.100
C3	C1	H7	118.100	C3	C2	H5	118.100
C3	C2	H8	118.100	H4	C1	H7	114.103
H5	C2	H8	114.103	H6	C3	H9	114.103

All results from a given calculation for C₃H₆ (Cyclopropane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.282
2	C	-0.282
3	C	-0.282
4	H	0.141
5	H	0.141
6	H	0.141
7	H	0.141
8	H	0.141
9	H	0.141

<r²>	43.355
(<r²>)^1/2	6.584

All results from a given calculation for C3H6 (Cyclopropane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₃H₆ (Cyclopropane)